1-[(4-methylsulfanylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(3-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-(3-pyridinylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1-[4-(methylthio)benzyl]-4-(3-pyridylmethyl)piperazine-1,4-diium Formula: C18H25N3S+2 MolecularWeight: 315.4762

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CN=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CN=CC=C3

InChI

InChI=1S/C18H23N3S/c1-22-18-6-4-16(5-7-18)14-20-9-11-21(12-10-20)15-17-3-2-8-19-13-17/h2-8,13H,9-12,14-15H2,1H3/p+2